6-ethoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzothiazole

Systemtic Name: 6-ethoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzothiazole Openeye Name: 6-ethoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzothiazole CAS Name: 6-ethoxy-2-[2-(1-piperidin-1-iumyl)ethylthio]-1,3-benzothiazole IUPAC Name: 6-ethoxy-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3-benzothiazole Traditional Name: 6-ethoxy-2-(2-piperidin-1-ium-1-ylethylthio)-1,3-benzothiazole Formula: C16H23N2OS2+ MolecularWeight: 323.49662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC[NH+]3CCCCC3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC[NH+]3CCCCC3

InChI

InChI=1S/C16H22N2OS2/c1-2-19-13-6-7-14-15(12-13)21-16(17-14)20-11-10-18-8-4-3-5-9-18/h6-7,12H,2-5,8-11H2,1H3/p+1